4-Bromopyridine

C5H4BrNCAS 1120-87-2158.00 g/mol

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BrN
Aryl halide

Properties

Molecular formula
C5H4BrN
Molar mass
158.00 g/mol
Exact mass
156.9527 Da
Melting point
0.5 °C
Boiling point
28–30 °C
logP
1.84Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1120-87-2
SMILES
Brc1ccncc1
InChIKey
BSDGZUDFPKIYQG-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H

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Names and synonyms

2 names
  • Pyridine, 4-bromo-
  • Pyridin-4-yl bromide

Work with 4-Bromopyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Bromopyridine hydrochloride19524-06-2Salt

Similar compounds

4-(4-Bromophenyl)pyridine39795-60-368 % similar 1,4-Dibromobenzene106-37-653 % similar 4,4′-Bipyridine553-26-447 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-245 % similar 4-Bromothiophenol106-53-645 % similar Bromobenzene108-86-144 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-744 % similar 4,4''-Dibromo-P-terphenyl17788-94-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromopyridine109-04-6 3-Bromopyridine626-55-1

Elsewhere

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